8CHC
 
 | | PBP AccA from A. vitis S4 in complex with Agrocinopine D-like | | Descriptor: | Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses), Agrocinopine utilization periplasmic binding protein AccA | | Authors: | Morera, S, Vigouroux, A, Deicsics, G. | | Deposit date: | 2023-02-07 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
|
|
2W29
 | | Gly102Thr mutant of Rv3291c | | Descriptor: | PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN | | Authors: | Shrivastava, T, Dey, S, Ravishankar, R. | | Deposit date: | 2008-10-25 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Ligand-Induced Structural Transitions, Mutational Analysis, and 'Open' Quaternary Structure of the M. Tuberculosis Feast/Famine Regulatory Protein (Rv3291C).
J.Mol.Biol., 392, 2009
|
|
8CI6
 | | PBP AccA from A. vitis S4 in complex with D-glucose-2-phosphate (G2P) | | Descriptor: | 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ABC transporter substrate binding protein (Agrocinopine) | | Authors: | Morera, S, Vigouroux, A. | | Deposit date: | 2023-02-08 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.199 Å) | | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
|
|
8CKD
 | | PBP AccA from A. fabrum C58 in complex with agrocinopine D-like | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), ... | | Authors: | Morera, S, Vigouroux, A. | | Deposit date: | 2023-02-15 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
|
|
6BME
 | |
2W24
 | | M. tuberculosis Rv3291c complexed to Lysine | | Descriptor: | LYSINE, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN | | Authors: | Shrivastava, T, Ramachandran, R. | | Deposit date: | 2008-10-24 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ligand-Induced Structural Transitions, Mutational Analysis, and 'Open' Quaternary Structure of the M. Tuberculosis Feast/Famine Regulatory Protein (Rv3291C).
J.Mol.Biol., 392, 2009
|
|
1I45
 | | YEAST TRIOSEPHOSPHATE ISOMERASE (MUTANT) | | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | | Authors: | Rozovsky, S, Jogl, G, Tong, L, McDermott, A.E. | | Deposit date: | 2001-02-19 | | Release date: | 2001-06-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Solution-state NMR investigations of triosephosphate isomerase active site loop motion: ligand release in relation to active site loop dynamics.
J.Mol.Biol., 310, 2001
|
|
6M94
 | | Monophosphorylated pSer33 b-Catenin peptide bound to b-TrCP/Skp1 Complex | | Descriptor: | Catenin beta-1, DIMETHYL SULFOXIDE, F-box/WD repeat-containing protein 1A, ... | | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
|
|
6M91
 | | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex | | Descriptor: | 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid, CHLORIDE ION, Catenin beta-1, ... | | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
|
|
4K9V
 | | Complex of CYP3A4 with a desoxyritonavir analog | | Descriptor: | 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
|
|
6M92
 | | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | | Descriptor: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
|
|
7ZJ3
 | | Structure of TRIM2 RING domain in complex with UBE2D1~Ub conjugate | | Descriptor: | Polyubiquitin-C, Tripartite motif-containing protein 2, Ubiquitin-conjugating enzyme E2 D1, ... | | Authors: | Esposito, D, Garza-Garcia, A, Dudley-Fraser, J, Rittinger, K. | | Deposit date: | 2022-04-08 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Divergent self-association properties of paralogous proteins TRIM2 and TRIM3 regulate their E3 ligase activity.
Nat Commun, 13, 2022
|
|
4X6B
 | | BK6 TCR apo structure | | Descriptor: | TCR alpha, TCR beta | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-12-07 | | Release date: | 2015-01-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
|
|
8F65
 | |
6DK0
 | | Human sigma-1 receptor bound to NE-100 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLYCEROL, N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine, ... | | Authors: | Schmidt, H.R, Kruse, A.C. | | Deposit date: | 2018-05-28 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
|
|
3E53
 | |
7K81
 | | KIR3DL1*005 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, Beta-2-microglobulin, ... | | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2020-09-24 | | Release date: | 2020-12-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
J Immunol., 206, 2021
|
|
8AYS
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol | | Descriptor: | 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-03 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
|
|
8AZ8
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol | | Descriptor: | 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-05 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
|
|
7UWL
 | | Structure of the IL-25-IL-17RB-IL-17RA ternary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-27 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
|
|
7UWK
 | | Structure of the higher-order IL-25-IL-17RB complex | | Descriptor: | Interleukin-17 receptor B, Interleukin-25 | | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-27 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
|
|
7K80
 | | KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, ... | | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2020-09-24 | | Release date: | 2020-12-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
J Immunol., 206, 2021
|
|
7UWJ
 | | Structure of the homodimeric IL-25-IL-17RB binary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor B, Interleukin-25 | | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-27 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
|
|
1SL6
 | | Crystal Structure of a fragment of DC-SIGNR (containg the carbohydrate recognition domain and two repeats of the neck) complexed with Lewis-x. | | Descriptor: | C-type lectin DC-SIGNR, CALCIUM ION, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Guo, Y, Feinberg, H, Conroy, E, Mitchell, D.A, Alvarez, R, Blixt, O, Taylor, M.E, Weis, W.I, Drickamer, K. | | Deposit date: | 2004-03-05 | | Release date: | 2004-06-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for distinct ligand-binding and targeting properties of the receptors
DC-SIGN and DC-SIGNR
Nat.Struct.Mol.Biol., 11, 2004
|
|
5N2F
 | | Structure of PD-L1/small-molecule inhibitor complex | | Descriptor: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2017-02-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
J. Med. Chem., 60, 2017
|
|
